tert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate

C16H24N2O2 — CID 135135114

IUPACtert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate
SMILESCc1cc(C2CCN(C(=O)OC(C)(C)C)C2)cc(C)n1
InChIInChI=1S/C16H24N2O2/c1-11-8-14(9-12(2)17-11)13-6-7-18(10-13)15(19)20-16(3,4)5/h8-9,13H,6-7,10H2,1-5H3
InChIKeyCDBJCPXZQMLFNW-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.42
Rot. Bonds1

About tert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate

tert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate (PubChem CID 135135114) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate
PubChem CID135135114
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate
SMILESCc1cc(C2CCN(C(=O)OC(C)(C)C)C2)cc(C)n1
InChIInChI=1S/C16H24N2O2/c1-11-8-14(9-12(2)17-11)13-6-7-18(10-13)15(19)20-16(3,4)5/h8-9,13H,6-7,10H2,1-5H3
InChIKeyCDBJCPXZQMLFNW-UHFFFAOYSA-N
XLogP3.42
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine-1-carboxylate
CID 169498563
tert-butyl 3-(3,4,5-trichlorophenyl)pyrrolidine-1-carboxylate
CID 169498313
tert-butyl 3-(3-bromo-5-methylphenyl)pyrrolidine-1-carboxylate
CID 169498844
tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 86336206
tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate
CID 135135280
tert-butyl 3-(4-tert-butylphenyl)pyrrolidine-1-carboxylate
CID 169495150
tert-butyl 3-(4,6-dimethylpyrimidin-2-yl)sulfonylpyrrolidine-1-carboxylate
CID 71634303
tert-butyl 3-(3-methoxy-4-methylphenyl)pyrrolidine-1-carboxylate
CID 169494828
tert-butyl (3R)-3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate
CID 153376550
tert-butyl 3-(3-chloro-5-methoxyphenyl)pyrrolidine-1-carboxylate
CID 169498875
tert-butyl (3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidine-1-carboxylate
CID 146286115
tert-butyl 3-[6-methyl-4-(trifluoromethylsulfonyloxy)-2-pyridinyl]pyrrolidine-1-carboxylate
CID 121271041

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate (CID 135135114) is tert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate is Cc1cc(C2CCN(C(=O)OC(C)(C)C)C2)cc(C)n1.
What is the InChIKey of tert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate?
The InChIKey is CDBJCPXZQMLFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-8-14(9-12(2)17-11)13-6-7-18(10-13)15(19)20-16(3,4)5/h8-9,13H,6-7,10H2,1-5H3.
What are the key properties of tert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate?
tert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 135135114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).